ChemSpider 2D Image | (1S)-2-Oxabicyclo[1.1.0]butan-1-ol | C3H4O2

(1S)-2-Oxabicyclo[1.1.0]butan-1-ol

  • Molecular FormulaC3H4O2
  • Average mass72.063 Da
  • Monoisotopic mass72.021126 Da
  • ChemSpider ID61715945

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S)-2-Oxabicyclo[1.1.0]butan-1-ol [German] [ACD/IUPAC Name]
(1S)-2-Oxabicyclo[1.1.0]butan-1-ol [ACD/IUPAC Name]
(1S)-2-Oxabicyclo[1.1.0]butan-1-ol [French] [ACD/IUPAC Name]
(1S,3R)-2-Oxabicyclo[1.1.0]butan-1-ol [German] [ACD/IUPAC Name]
(1S,3R)-2-Oxabicyclo[1.1.0]butan-1-ol [ACD/IUPAC Name]
(1S,3R)-2-Oxabicyclo[1.1.0]butan-1-ol [French] [ACD/IUPAC Name]
2-Oxabicyclo[1.1.0]butan-1-ol, (1S)- [ACD/Index Name]
2-Oxabicyclo[1.1.0]butan-1-ol, (1S,3R)- [ACD/Index Name]
Acetate ion

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

HSDB 40 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.1±0.1 g/cm3
Boiling Point: 211.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.0±6.0 kJ/mol
Flash Point: 126.3±12.7 °C
Index of Refraction: 1.808
Molar Refractivity: 15.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.68
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.15
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.15
Polar Surface Area: 33 Å2
Polarizability: 5.9±0.5 10-24cm3
Surface Tension: 157.8±3.0 dyne/cm
Molar Volume: 34.8±3.0 cm3

Click to predict properties on the Chemicalize site


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